N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine

C10H15N3O2 — CID 99795785

IUPACN-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)[C@@H](C)c1nc(COC)no1
InChIInChI=1S/C10H15N3O2/c1-5-6-13(3)8(2)10-11-9(7-14-4)12-15-10/h1,8H,6-7H2,2-4H3/t8-/m0/s1
InChIKeyLXESQRUZBWNKAH-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.84
Rot. Bonds5

About N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine

N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine (PubChem CID 99795785) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine
PubChem CID99795785
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)[C@@H](C)c1nc(COC)no1
InChIInChI=1S/C10H15N3O2/c1-5-6-13(3)8(2)10-11-9(7-14-4)12-15-10/h1,8H,6-7H2,2-4H3/t8-/m0/s1
InChIKeyLXESQRUZBWNKAH-QMMMGPOBSA-N
XLogP0.84
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine (CID 99795785) is N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine is C#CCN(C)[C@@H](C)c1nc(COC)no1.
What is the InChIKey of N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine?
The InChIKey is LXESQRUZBWNKAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-5-6-13(3)8(2)10-11-9(7-14-4)12-15-10/h1,8H,6-7H2,2-4H3/t8-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine?
N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine has a molecular weight of 209.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 99795785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).